1-Chloro-3-(trifluoromethoxy)benzene

C₇H₄ClF₃OCAS 772-49-6196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
logP: 3.24Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

772-49-6

SMILES

C1=CC(=CC(=C1)Cl)OC(F)(F)F

InChIKey

OLDJEKBXICPMAS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-(Trifluoromethoxy)chlorobenzene

Work with 1-Chloro-3-(trifluoromethoxy)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Trifluoromethoxy)fluorobenzene1077-01-664 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-762 % similar 3-(Trifluoromethoxy)anisole142738-94-160 % similar 3-(Trifluoromethoxy)aniline1535-73-560 % similar 3-(Trifluoromethoxy)iodobenzene198206-33-660 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-060 % similar 3-(Trifluoromethoxy)phenol827-99-660 % similar (Trifluoromethoxy)benzene456-55-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 2-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 3-Chloro-5-hydroxybenzotrifluoride570391-18-3 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

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